SpectraBase Compound ID | Jx1Hedi4o85 |
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InChI | InChI=1S/C9H16O2/c1-5-7(10)6-8(11)9(2,3)4/h5-6H2,1-4H3 |
InChIKey | LHQYNVWJWUCTSS-UHFFFAOYSA-N |
Mol Weight | 156.22 g/mol |
Molecular Formula | C9H16O2 |
Exact Mass | 156.11503 g/mol |
SpectraBase Spectrum ID | AQBHdzy7arh |
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Name | 2,2-Dimethylheptane-3,5-dione |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 156.115029753 u |
Formula | C9H16O2 |
InChI | InChI=1S/C9H16O2/c1-5-7(10)6-8(11)9(2,3)4/h5-6H2,1-4H3 |
InChIKey | LHQYNVWJWUCTSS-UHFFFAOYSA-N |
Molecular Weight | 156.225 g/mol |
SMILES | CCC(CC(C(C)(C)C)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954158 |